SCHEMBL26072322

SCHEMBL26072322

COC(=O)c1nc(Cl)cc2c1cc(-c1ccc(S(C)(=O)=O)cc1)n2C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PTGS2 P35354 11/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPK8 P45983 2/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ HSD11B1 P28845 1/20 0.37
▸ IDO1 P14902 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26072059 0.89 KDM5A (0.39) KDM4EALDH1A1PTGS2PTGS1HSD11B1
SCHEMBL26072702 0.83 PTGS2 (0.40) PTGS2PTGS1HSD11B1IDO1
SCHEMBL26072918 0.82 PTGS2 (0.42) PTGS2PTGS1HSD11B1IDO1
SCHEMBL26072684 0.81 PTGS2 (0.41) PTGS2PTGS1HSD11B1IDO1
SCHEMBL29395846 0.81 PTGS2 (0.41) PTGS2PTGS1HSD11B1IDO1
SCHEMBL26072708 0.79 PTGS2 (0.38) PTGS2PTGS1HSD11B1IDO1
SCHEMBL26072604 0.77 PTGS2 (0.39) PTGS2PTGS1HSD11B1IDO1
SCHEMBL26072151 0.73 PIK3CA (0.45) PTGS2PTGS1
SCHEMBL23115744 0.68 PDE1C (0.40) KDM4EALDH1A1
SCHEMBL29765999 0.68 PDE1C (0.40) KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590091-B2 1H-pyrrolo[3,2-C]pyridine and 1H-pyrrolo[2,3-C]pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis BRISTOL-MYERS SQUIBB COMPANY (US) 2026-03-31 — — US disclosed
EP-4200298-B1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2025-05-21 — — EP disclosed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 — — US disclosed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12590091-B2 1H-pyrrolo[3,2-C]pyridine and 1H-pyrrolo[2,3-C]pyridine derivatives as TLR9 inhibitors for the treatment of fibrosis TLR9, TLR1, TLR3 KDM4E 1311/4885NPC1 828/4885ALDH1A1 3124/4885
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 KDM4E 1092/4885NPC1 1931/4885ALDH1A1 2161/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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